N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide

C19H16F6N2O2 — CID 100722444

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
SMILESCC(C)(NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H16F6N2O2/c1-17(2,11-6-4-3-5-7-11)27-16(29)15(28)26-14-9-12(18(20,21)22)8-13(10-14)19(23,24)25/h3-10H,1-2H3,(H,26,28)(H,27,29)
InChIKeyCHHFCGZNCNXLNW-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.71
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide

N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide (PubChem CID 100722444) has the molecular formula C19H16F6N2O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
PubChem CID100722444
Molecular FormulaC19H16F6N2O2
Molecular Weight418.34 g/mol
Exact Mass418.11
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
SMILESCC(C)(NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H16F6N2O2/c1-17(2,11-6-4-3-5-7-11)27-16(29)15(28)26-14-9-12(18(20,21)22)8-13(10-14)19(23,24)25/h3-10H,1-2H3,(H,26,28)(H,27,29)
InChIKeyCHHFCGZNCNXLNW-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530336
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523144
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N'-[3,5-bis(trifluoromethyl)phenyl]-N-pyridin-3-yloxamide
CID 86807604
2-phenylpropan-2-ylcarbamic acid
CID 23445609
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide (CID 100722444) is N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide is CC(C)(NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide?
The InChIKey is CHHFCGZNCNXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2/c1-17(2,11-6-4-3-5-7-11)27-16(29)15(28)26-14-9-12(18(20,21)22)8-13(10-14)19(23,24)25/h3-10H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide has a molecular weight of 418.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide is sourced from PubChem (CID 100722444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).